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Pyrrolo[3,4-c]pyrrole-1-carbonitrile, octahydro-5-(4-nitrophenyl)-4,6-dioxo-3-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID H3xJBtMEUMm
InChI InChI=1S/C19H14N4O4/c20-10-14-15-16(17(21-14)11-4-2-1-3-5-11)19(25)22(18(15)24)12-6-8-13(9-7-12)23(26)27/h1-9,14-17,21H
InChIKey TUNXKGIKLNSAFF-UHFFFAOYSA-N
Mol Weight 362.35 g/mol
Molecular Formula C19H14N4O4
Exact Mass 362.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b7B5LKpuyR
Name Pyrrolo[3,4-c]pyrrole-1-carbonitrile, octahydro-5-(4-nitrophenyl)-4,6-dioxo-3-phenyl-, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-
CAS Registry Number 102845-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N4O4
InChI InChI=1S/C19H14N4O4/c20-10-14-15-16(17(21-14)11-4-2-1-3-5-11)19(25)22(18(15)24)12-6-8-13(9-7-12)23(26)27/h1-9,14-17,21H
InChIKey TUNXKGIKLNSAFF-UHFFFAOYSA-N
Molecular Weight 362.345 g/mol
SMILES N1C(C2C(C1c1ccccc1)C(N(C2=O)c1ccc(N(=O)=O)cc1)=O)C#N
SPLASH splash10-00kf-9800000000-fe985e5764780e80f332
Source of Spectrum AJ-59-1817-7
Synonyms 3a,4,6,6a-tetrahydro-2-(p-nitrophenyl)-4-cyano-6-phenyl-1H,3H-pyrrolo[3,4-c]pyrrol-1,3-dione 5-(4-nitrophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carbonitrile
Wiley ID 1349473